Known targets — ChEMBL curated mechanism
S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 known ✓ | Q99500 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
| ▸ | GLA | P06280 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 1/20 | 0.51 |
| ▸ | THRA | P10827 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 8/20 | 0.33 |
| ▸ | CA2 | P00918 | 8/20 | 0.33 |
| ▸ | CA9 | Q16790 | 7/20 | 0.33 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA3 | P07451 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28104936 | 0.87 | RECQL (0.55) | RECQLTSHRGLAHPGDMAPK1 | |
| 2-Allylphenol SCHEMBL11495569 | 0.86 | TSHR (0.54) | RECQLTSHRGLAHPGDMAPK1 | |
| Alcohol SCHEMBL28784112 | 0.85 | RECQL (0.52) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL27733357 | 0.83 | POLB (0.35) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL18274998 | 0.83 | POLB (0.35) | ALDH1A1CA1CA2CA9CA12 | |
| SCHEMBL1127786 | 0.81 | THRA (0.39) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL28130763 | 0.81 | THRA (0.39) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL27852010 | 0.81 | THRA (0.39) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL2219399 | 0.81 | THRA (0.39) | RECQLTSHRGLAHPGDMAPK1 | |
| Sulfuric Acid SCHEMBL28428799 | 0.81 | POLB (0.41) | ALDH1A1KDM4E |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5258304-A | Antisoilants; fabrics, contact lenses | GENENCOR INTERNATIONAL, INC. (US) | 1993-11-02 | — | — | US | disclosed |